lunghiale.bsky.social
Ass't Prof. in Physics, Trinity College Dublin. Interested in the theory of Spin Relaxation, Open Quantum Systems, Electronic Structure, and Machine Learning
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What is the std dev of the underlying distributions? Are those differences significative?
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Yes!
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The community will probably get there, but in the meantime active learning + linear models will get you an accurate MLFFs ready for MD in tens of DFT calculations. Let's do that!